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doxorubicin - Ontology Report - Rat Genome Database

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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:doxorubicin
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Accession:CHEBI:28748 term browser browse the term
Definition:An anthracycline antibiotic that has formula C27H29NO11.
Synonyms:exact_synonym: (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
 related_synonym: (1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside;   (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione;   14-hydroxydaunomycin;   14-hydroxydaunorubicine;   Adriamycin;   Formula=C27H29NO11;   InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1;   InChIKey=AOJJSUZBOXZQNB-TZSSRYMLSA-N;   SMILES=COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO;   doxorubicine;   doxorubicinum
 alt_id: CHEBI:22270;   CHEBI:2496;   CHEBI:42031
 xref: CAS:23214-92-8;   DrugBank:DB00997;   Drug_Central:960;   KEGG:C01661;   KEGG:D03899;   LINCS:LSM-4062;   LIPID_MAPS_instance:LMPK13050001
 xref_mesh: MESH:D004317
 xref: PDBeChem:DM2
 cyclic_relationship: is_conjugate_base_of CHEBI:64816


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 22426
        role 22410
          biological role 22409
            antimicrobial agent 19739
              anthracycline antibiotic 7715
                doxorubicin 7711
                  1-O-demethyl-6-deoxydoxorubicin 0
                  3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
                  4'-deoxy-4'-iododoxorubicin 0
                  4'-deoxy-4'-iododoxorubicinium 0
                  4'-epidoxorubicin 66
                  4'-epidoxorubicinium 0
                  nemorubicin 5
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22426
        subatomic particle 22420
          composite particle 22420
            hadron 22420
              baryon 22420
                nucleon 22420
                  atomic nucleus 22420
                    atom 22420
                      main group element atom 22307
                        main group molecular entity 22307
                          s-block molecular entity 21923
                            hydrogen molecular entity 21844
                              hydrides 20874
                                organic hydride 20416
                                  organic fundamental parent 20416
                                    hydrocarbon 19972
                                      cyclic hydrocarbon 18007
                                        arene 17987
                                          polycyclic arene 17764
                                            ortho-fused polycyclic arene 10143
                                              acene 7956
                                                tetracene 7953
                                                  doxorubicin 7711
                                                    1-O-demethyl-6-deoxydoxorubicin 0
                                                    3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin 1
                                                    4'-deoxy-4'-iododoxorubicin 0
                                                    4'-deoxy-4'-iododoxorubicinium 0
                                                    4'-epidoxorubicin 66
                                                    4'-epidoxorubicinium 0
                                                    nemorubicin 5
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